4-(trifluoromethyl)pyrrolidin-2-one

C5H6F3NO — CID 67195107

IUPAC4-(trifluoromethyl)pyrrolidin-2-one
SMILESO=C1CC(C(F)(F)F)CN1
InChIInChI=1S/C5H6F3NO/c6-5(7,8)3-1-4(10)9-2-3/h3H,1-2H2,(H,9,10)
InChIKeyKXAVNCLUOSJVJV-UHFFFAOYSA-N
MW153.10 g/mol
LogP0.68
Rot. Bonds

About 4-(trifluoromethyl)pyrrolidin-2-one

4-(trifluoromethyl)pyrrolidin-2-one (PubChem CID 67195107) has the molecular formula C5H6F3NO and a molecular weight of 153.10 g/mol. Its IUPAC name is 4-(trifluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(trifluoromethyl)pyrrolidin-2-one
PubChem CID67195107
Molecular FormulaC5H6F3NO
Molecular Weight153.10 g/mol
Exact Mass153.04
IUPAC Name4-(trifluoromethyl)pyrrolidin-2-one
SMILESO=C1CC(C(F)(F)F)CN1
InChIInChI=1S/C5H6F3NO/c6-5(7,8)3-1-4(10)9-2-3/h3H,1-2H2,(H,9,10)
InChIKeyKXAVNCLUOSJVJV-UHFFFAOYSA-N
XLogP0.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.10
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)pyrrolidin-2-one?
The IUPAC name of 4-(trifluoromethyl)pyrrolidin-2-one (CID 67195107) is 4-(trifluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(trifluoromethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(trifluoromethyl)pyrrolidin-2-one is O=C1CC(C(F)(F)F)CN1.
What is the InChIKey of 4-(trifluoromethyl)pyrrolidin-2-one?
The InChIKey is KXAVNCLUOSJVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO/c6-5(7,8)3-1-4(10)9-2-3/h3H,1-2H2,(H,9,10).
What are the key properties of 4-(trifluoromethyl)pyrrolidin-2-one?
4-(trifluoromethyl)pyrrolidin-2-one has a molecular weight of 153.10 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 67195107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).